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- W2365362138 abstract "Density functional theory(DFT)B3LYP/6-311G**method was used to investigate the geometrical structures,the second-order NLO properties and electronic spectra of a series of organic conjugated molecules with hexaazatriphenylene(HAT)chromophores.The results showed that the second-order NLO coefficientβvalues of all molecules were influenced greatly by the chang of the pushpull electronic ability and the relative position of the substituent groups on both sides of the molecules and the introduction of heteroaromatic.When the substituent groups of—NO2,and—C(NH2)3were linked respectively to the left and right sides of molecules and the pyrrole furan heterocycle introduced,the maximumβvalues and exhibit good transparency were obtained.All compounds may have good application prospects in the field of NLO materials." @default.
- W2365362138 created "2016-06-24" @default.
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- W2365362138 date "2015-01-01" @default.
- W2365362138 modified "2023-09-28" @default.
- W2365362138 title "Second-order nonlinear optical properties of organic aromatic moleculars with hexaazatriphenylene chromophores" @default.
- W2365362138 hasPublicationYear "2015" @default.
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